Monomers

Methyl acrylate

Identifiers

IUPAC name
methyl prop-2-enoate
InchI
InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3
InchI Key
BAPJBEWLBFYGME-UHFFFAOYSA-N
SMILES
COC(=O)C=C
Canonical SMILES
COC(=O)C=C
Isomeric SMILES
COC(=O)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C4H6O2
Heavy Atom Count
6
Molecular Weight
86.09
Exact Molecular Weight
86.0368
Valence Electrons
34
Radical Electrons
0
tPSA
26.3
MolLogP
0.3454
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 12 11  0  0  0  0  0  0  0  0999 V2000
   -2.3398   -0.0627   -0.0742 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0375   -0.4892   -0.4230 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1127    0.0861    0.0952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0477    1.0305    0.9122 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4547   -0.3805   -0.2877 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5419    0.1526    0.1927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7658   -0.6703    0.7569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3899    1.0163    0.1682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9903   -0.2504   -0.9538 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4995   -1.1977   -0.9962 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4957   -0.2016   -0.0991 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4665    0.9670    0.8983 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  3
  1  7  1  0
  1  8  1  0
  1  9  1  0
  5 10  1  0
  6 11  1  0
  6 12  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers